2-hydroxy-3-(methylamino)-5-methylsulfanylpentanoic acid

C7H15NO3S — CID 20660327

IUPAC2-hydroxy-3-(methylamino)-5-methylsulfanylpentanoic acid
SMILESCNC(CCSC)C(O)C(=O)O
InChIInChI=1S/C7H15NO3S/c1-8-5(3-4-12-2)6(9)7(10)11/h5-6,8-9H,3-4H2,1-2H3,(H,10,11)
InChIKeyDHHNHHIYGZFKGR-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.23
Rot. Bonds6

About 2-hydroxy-3-(methylamino)-5-methylsulfanylpentanoic acid

2-hydroxy-3-(methylamino)-5-methylsulfanylpentanoic acid (PubChem CID 20660327) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-hydroxy-3-(methylamino)-5-methylsulfanylpentanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(methylamino)-5-methylsulfanylpentanoic acid
PubChem CID20660327
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name2-hydroxy-3-(methylamino)-5-methylsulfanylpentanoic acid
SMILESCNC(CCSC)C(O)C(=O)O
InChIInChI=1S/C7H15NO3S/c1-8-5(3-4-12-2)6(9)7(10)11/h5-6,8-9H,3-4H2,1-2H3,(H,10,11)
InChIKeyDHHNHHIYGZFKGR-UHFFFAOYSA-N
XLogP-0.23
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(methylamino)-4-methylsulfanylbutanoic acid
CID 6451891
lithium [(1S)-1-carboxy-3-methylsulfanylpropyl]azanide
CID 175914982
bis([(1S)-1-carboxy-3-methylsulfanylpropyl]azanide);platinum(2+)
CID 172761205
(3R)-3-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-methylsulfanylpentanoic acid
CID 170899691
2-(2-methylsulfanylethyl)propanedioic acid
CID 87755273
(2S)-2-(hydroxymethylamino)-4-methylsulfanylbutanoic acid;zinc
CID 174699111
2-hydroxy-4-methylsulfanylbutanoic acid;bis(nickel(2+))
CID 46207063
2-hydroxy-4-methylsulfanylbutanoic acid;manganese
CID 174627815
(2S)-N-[(2S)-1-amino-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-(methylamino)propanamide
CID 155137335
(5S)-5-(methylamino)-7-methylsulfanyl-4-oxohept-2-enoic acid
CID 87501078
4-methylsulfanyl-2-(oxidoamino)butanoic acid
CID 22493019
N,4-dimethyl-1-methylsulfanylhexan-3-amine
CID 105170590

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(methylamino)-5-methylsulfanylpentanoic acid?
The IUPAC name of 2-hydroxy-3-(methylamino)-5-methylsulfanylpentanoic acid (CID 20660327) is 2-hydroxy-3-(methylamino)-5-methylsulfanylpentanoic acid.
What is the SMILES notation for 2-hydroxy-3-(methylamino)-5-methylsulfanylpentanoic acid?
The canonical SMILES for 2-hydroxy-3-(methylamino)-5-methylsulfanylpentanoic acid is CNC(CCSC)C(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-(methylamino)-5-methylsulfanylpentanoic acid?
The InChIKey is DHHNHHIYGZFKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-8-5(3-4-12-2)6(9)7(10)11/h5-6,8-9H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 2-hydroxy-3-(methylamino)-5-methylsulfanylpentanoic acid?
2-hydroxy-3-(methylamino)-5-methylsulfanylpentanoic acid has a molecular weight of 193.27 g/mol, XLogP of -0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(methylamino)-5-methylsulfanylpentanoic acid is sourced from PubChem (CID 20660327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).